1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C10H15ClN2S2 — CID 104879343

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2ncc(Cl)s2)CCCS1
InChIInChI=1S/C10H15ClN2S2/c1-10(3-2-4-14-10)7-12-6-9-13-5-8(11)15-9/h5,12H,2-4,6-7H2,1H3
InChIKeyZVBQOPZHXYUFND-UHFFFAOYSA-N
MW262.83 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 104879343) has the molecular formula C10H15ClN2S2 and a molecular weight of 262.83 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID104879343
Molecular FormulaC10H15ClN2S2
Molecular Weight262.83 g/mol
Exact Mass262.04
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2ncc(Cl)s2)CCCS1
InChIInChI=1S/C10H15ClN2S2/c1-10(3-2-4-14-10)7-12-6-9-13-5-8(11)15-9/h5,12H,2-4,6-7H2,1H3
InChIKeyZVBQOPZHXYUFND-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528676
1-(5-chloro-1,3-thiazol-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 107124099
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 104879601
N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 80723291
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528815
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 104879343) is 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CC1(CNCc2ncc(Cl)s2)CCCS1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is ZVBQOPZHXYUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S2/c1-10(3-2-4-14-10)7-12-6-9-13-5-8(11)15-9/h5,12H,2-4,6-7H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 262.83 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 104879343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).